2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

C12H29N3O — CID 106675701

IUPAC2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)CCN(C)C
InChIInChI=1S/C12H29N3O/c1-12(2,16-6)9-11(10-13)15(5)8-7-14(3)4/h11H,7-10,13H2,1-6H3
InChIKeyTYBSKIHURRFGCK-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.62
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (PubChem CID 106675701) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
PubChem CID106675701
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)CCN(C)C
InChIInChI=1S/C12H29N3O/c1-12(2,16-6)9-11(10-13)15(5)8-7-14(3)4/h11H,7-10,13H2,1-6H3
InChIKeyTYBSKIHURRFGCK-UHFFFAOYSA-N
XLogP0.62
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 106675531
4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 106675747
2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675782
(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
N'-(4-methoxy-2,2,4-trimethylpentyl)-N-methyl-N'-propylethane-1,2-diamine
CID 144147499
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
1-(4-Iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine
CID 146274281
N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
CID 170267583
N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine
CID 174136630
(2R)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013888
(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013890
(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013896

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (CID 106675701) is 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is COC(C)(C)CC(CN)N(C)CCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The InChIKey is TYBSKIHURRFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-12(2,16-6)9-11(10-13)15(5)8-7-14(3)4/h11H,7-10,13H2,1-6H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine has a molecular weight of 231.38 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106675701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).